4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one

C19H20F3NO2 — CID 42415257

IUPAC4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCO[C@@H](Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)9-8-18(24)23-10-11-25-16(13-23)12-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16H,8-13H2/t16-/m0/s1
InChIKeySNMMFMUFJDBQHQ-INIZCTEOSA-N
MW351.37 g/mol
LogP3.95
Rot. Bonds4

About 4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one

4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one (PubChem CID 42415257) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one
PubChem CID42415257
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCO[C@@H](Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)9-8-18(24)23-10-11-25-16(13-23)12-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16H,8-13H2/t16-/m0/s1
InChIKeySNMMFMUFJDBQHQ-INIZCTEOSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one (CID 42415257) is 4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one is O=C(CCC(F)(F)F)N1CCO[C@@H](Cc2cccc3ccccc23)C1.
What is the InChIKey of 4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one?
The InChIKey is SNMMFMUFJDBQHQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20F3NO2/c20-19(21,22)9-8-18(24)23-10-11-25-16(13-23)12-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16H,8-13H2/t16-/m0/s1.
What are the key properties of 4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one?
4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one has a molecular weight of 351.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 42415257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).